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IBS-ZINC02222281

 MMsINC code: MMs01807431
Type: Neutral
Formula: C11H19NO4
SMILES:   O(C(=O)C(N1CCCCC1)CC(O)=O)CC
InChI:   InChI=1/C11H19NO4/c1-2-16-11(15)9(8-10(13)14)12-6-4-3-5-7-12/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=42.7452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.85572  SlogP: 0.8787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142992  Sterimol/B1: 3.45484  Sterimol/B2: 3.50741  Sterimol/B3: 3.67686
  Sterimol/B4: 6.87681  Sterimol/L: 12.6669 
 
 Surface and Volume Properties
  Accessible surface: 453.085  Positive charged surface: 339.331  Negative charged surface: 113.754  Volume: 223.125
  Hydrophobic surface: 324.872  Hydrophilic surface: 128.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.